Glycoside
GD108187
Name:
NoneFormula:
C27H42O9Smiles:
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C(=O)CO)CCC12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 510.62 | Num_heavy_atoms: | 36 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD44378
Formula: C21H34O3
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C(=O)CO)CCC12| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 3.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 334.5 | Num_heavy_atoms: | 24 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
